ethyl 2-{[3-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[3-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
ethyl 2-{[3-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V011-1135 |
| Compound Name: | ethyl 2-{[3-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCCC(C(=O)OCC)SC1=Nc2ccccc2C(N1c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2468 |
| logD: | 4.2468 |
| logSw: | -4.3853 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.566 |
| InChI Key: | UIRGRCXIAOWZFG-SFHVURJKSA-N |